Crystallography Open Database

Information card for entry 4333197

Preview

Coordinates	4333197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H93 Br2 Ni2 P4
Calculated formula	C50 H93 Br2 Ni2 P4
SMILES	C1(CCCCC1)[P]1(C2CCCCC2)[Ni]2([P](C3CCCCC3)(C3CCCCC3)C[P](C3CCCCC3)(C3CCCCC3)[Ni]([H]2)([P](C2CCCCC2)(C2CCCCC2)C1)Br)Br
Title of publication	Structural Factors Influencing Linear M−H−M Bonding in Bis(dialkylphosphino)methane Complexes of Nickel
Authors of publication	Tyree, William S.; Vicic, David A.; Piccoli, Paula M. B.; Schultz, Arthur J.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	22
Pages of publication	8853 - 8855
a	22.484 ± 0.005 Å
b	22.484 ± 0.005 Å
c	20.323 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	10274 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1888
Residual factor for significantly intense reflections	0.1377
Weighted residual factors for significantly intense reflections	0.264
Weighted residual factors for all reflections included in the refinement	0.2944
Goodness-of-fit parameter for all reflections included in the refinement	1.253
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179434 (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 4/33/31.	4333197.cif
98846	2014-01-30	cif/ Adding structures of 4333196, 4333197 via cif-deposit CGI script.	4333197.cif