Crystallography Open Database

Information card for entry 8103021

Preview

Coordinates	8103021.cif

Structure parameters

Chemical name	Crystal structure of {[μ-bis(diphenylphosphino) methane]-bis-μ-iodo-quinoline-isoquinolinedicopper(I)}, [Cu~2~(dppm)(C~9~H~7~N)(i-C~9~H~7~N)I~2~]
Formula	C43 H36 Cu2 I2 N2 P2
Calculated formula	C43 H36 Cu2 I2 N2 P2
SMILES	[I]1[Cu]23([I][Cu]12([n]1ccc2c(c1)cccc2)[P](c1ccccc1)(c1ccccc1)C[P]3(c1ccccc1)c1ccccc1)[n]1c2c(cccc2)ccc1
Title of publication	Crystal structure of [m-bis(diphenylphosphino) methane]-bis-m-iodo-quinoline-isoquinolinedicopper(I), [Cu2(CH2(P(C6H5)2)2)(C9H7N)(i-C9H7N)]I2
Authors of publication	Qiong-Hua Jin; Li-Li Zhou; Xiao-Dong Yang; Jing-Jing Sun; Pei-Zhou Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	2
Pages of publication	139
a	17.6043 ± 0.0004 Å
b	19.997 ± 0.0005 Å
c	22.5109 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7924.6 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103021.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	8103021.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103021.cif
13760	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8103021 via cif-deposit CGI script.	8103021.cif