Crystallography Open Database

Information card for entry 4331592

Preview

Coordinates	4331592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H43 B Ni O2 P2
Calculated formula	C22 H43 B Ni O2 P2
SMILES	[Ni]123([P](Oc4c2c(O[P]1(C(C)(C)C)C(C)(C)C)ccc4)(C(C)(C)C)C(C)(C)C)[H][BH2][H]3
Title of publication	Pincer-Ligated Nickel Hydridoborate Complexes: the Dormant Species in Catalytic Reduction of Carbon Dioxide with Boranes
Authors of publication	Sumit Chakraborty; Jie Zhang; Yogi J. Patel; Jeanette A. Krause; Hairong Guan
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	37 - 47
a	8.287 ± 0.0002 Å
b	12.149 ± 0.0003 Å
c	13.4267 ± 0.0003 Å
α	100.274 ± 0.001°
β	95.653 ± 0.001°
γ	105.074 ± 0.002°
Cell volume	1269.32 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179418 (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 4/33/15.	4331592.cif
97725	2014-01-29	cif/ Adding structures of 4331592 via cif-deposit CGI script.	4331592.cif