Crystallography Open Database

Information card for entry 8103020

Preview

Coordinates	8103020.cif

Structure parameters

Chemical name	bis[μ-bis(diphenylphosphino)methane]- (μ-chloro)-quinolinechlorodicopper(I)}-bis(quinoline)hydrate, [Cu~2~(Ph~2~PCH~2~PPh~2~)~2~(C~9~H~7~N)Cl~2~].(C~9~H~7~N)~2~.H~2~O
Formula	C77 H67 Cl2 Cu2 N3 O P4
Calculated formula	C77 H67 Cl2 Cu2 N3 O P4
Title of publication	Crystal structure of bis[m-bis(diphenylphosphino)methane]-(m-chloro)-quinolinechlorodicopper(I) - quinoline - water (1:2:1), [Cu2(CH2(P(C6H5)2)2)2(C9H7N)Cl2] · (C9H7N)2 · H2O
Authors of publication	Qiong-Hua Jin; Li-Min Chen; Jia-Cui Dong; Hong-Wei Gao; Liang Yang; 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	135
a	9.9627 ± 0.0001 Å
b	14.6883 ± 0.0002 Å
c	24.566 ± 0.0004 Å
α	76.309 ± 0.001°
β	81.592 ± 0.001°
γ	76.188 ± 0.001°
Cell volume	3376.36 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1184
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1494
Weighted residual factors for all reflections included in the refinement	0.1779
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	8103020.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 {}'	8103020.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103020.cif
13759	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8103020 via cif-deposit CGI script.	8103020.cif