Crystallography Open Database

Information card for entry 4304798

Preview

Coordinates	4304798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H52 N Ni O P2 Si2
Calculated formula	C23 H52 N Ni O P2 Si2
Title of publication	Influence of the d-Electron Count on CO Binding by Three-Coordinate [(tBu2PCH2SiMe2)2N]Fe, -Co, and -Ni
Authors of publication	Michael J. Ingleson; Benjamin C. Fullmer; Drew T. Buschhorn; Hongjun Fan; Maren Pink; John C. Huffman; Kenneth G. Caulton
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	407 - 409
a	18.178 ± 0.005 Å
b	10.173 ± 0.003 Å
c	16.417 ± 0.005 Å
α	90°
β	98.744 ± 0.006°
γ	90°
Cell volume	3000.6 ± 1.5 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0728
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	0.928
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
179085 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/47.	4304798.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304798.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304798.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304798.cif