Crystallography Open Database

Information card for entry 4114155

Preview

Coordinates	4114155.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	BP3CoOSiPh3 295K
Formula	C72 H65 B Co O P3 Si
Calculated formula	C72 H65 B Co O P3 Si
Title of publication	Solution and Solid-State Spin-Crossover Behavior in a Pseudotetrahedral d7 Ion
Authors of publication	David M. Jenkins; Jonas C. Peters
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	11162 - 11163
a	13.4295 ± 0.0015 Å
b	14.5619 ± 0.0017 Å
c	17.357 ± 0.002 Å
α	78.183 ± 0.002°
β	68.286 ± 0.002°
γ	88.981 ± 0.002°
Cell volume	3080.4 ± 0.6 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 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	0.1288
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
178912 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/41.	4114155.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114155.cif
67438	2012-09-26	cif/ Adding structures of 4114155 via cif-deposit CGI script.	4114155.cif