Crystallography Open Database

Information card for entry 7024139

Preview

Coordinates	7024139.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(K(2,2,2-crypt))2(P7In(C6H5)2)
Chemical name	[K(2,2,2-crypt)]2[P7In(C6H5)2]
Formula	C48 H82 In K2 N4 O12 P7
Calculated formula	C48 H82 In K2 N4 O12 P7
SMILES	P12P3P4P(P1[In]3(c1ccccc1)c1ccccc1)P4[P]2.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9
Title of publication	Reactivity studies of group 15 Zintl ions towards homoleptic post-transition metal organometallics: a 'bottom-up' approach to bimetallic molecular clusters.
Authors of publication	Knapp, Caroline; Zhou, Binbin; Denning, Mark S.; Rees, Nicholas H.; Goicoechea, Jose M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	2
Pages of publication	426 - 436
a	11.4911 ± 0.0001 Å
b	24.2435 ± 0.0002 Å
c	22.4105 ± 0.0002 Å
α	90°
β	92.211 ± 0.001°
γ	90°
Cell volume	6238.57 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1835
Weighted residual factors for all reflections included in the refinement	0.1906
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179946 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/41.	7024139.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 {}'	7024139.cif
92194	2014-01-12	cif/ Adding structures of 7024136, 7024137, 7024138, 7024139 via cif-deposit CGI script.	7024139.cif