Crystallography Open Database

Information card for entry 4339404

Preview

Coordinates	4339404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H92 Ba3 O4 P6
Calculated formula	C88 H92 Ba3 O4 P6
Title of publication	Bis(diphenylphosphido) derivatives of the heavier group 2 elements.
Authors of publication	Crimmin, Mark R.; Barrett, Anthony G. M.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	24
Pages of publication	10410 - 10415
a	35.9158 ± 0.0006 Å
b	13.0999 ± 0.0002 Å
c	21.9088 ± 0.0003 Å
α	90°
β	127.42 ± 0.001°
γ	90°
Cell volume	8186.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
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
179497 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/94.	4339404.cif
117313	2014-06-14	cif/ Adding structures of 4339402, 4339403, 4339404, 4339405, 4339406 via cif-deposit CGI script.	4339404.cif