Crystallography Open Database

Information card for entry 4338608

Preview

Coordinates	4338608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H44 Ni P2
Calculated formula	C24 H44 Ni P2
SMILES	c12c3cccc2C[P]([NiH]1[P](C3)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
Title of publication	Synthesis, Characterization, and Reactivity of Nickel Hydride Complexes Containing 2,6-C6H3(CH2PR2)2(R = tBu,cHex, and iPr) Pincer Ligands
Authors of publication	Boro, Brian J.; Duesler, Eileen N.; Goldberg, Karen I.; Kemp, Richard A.
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Journal issue	12
Pages of publication	5081 - 5087
a	16.1519 ± 0.0004 Å
b	16.1519 ± 0.0004 Å
c	19.1801 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5003.8 ± 0.2 Å³
Cell temperature	228 ± 2 K
Ambient diffraction temperature	228 ± 2 K
Number of distinct elements	4
Space group number	110
Hermann-Mauguin space group symbol	I 41 c d
Hall space group symbol	I 4bw -2c
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
210045 (current)	2018-08-22	cif/4/ Updating bibliography in entries 4302261-4302262, 4338608-4338609. Marking entries 4302261-4302262 as duplicates of entries 4338609, 4338608.	4338608.cif
179489	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 4/33/86.	4338608.cif
114765	2014-05-29	cif/ Adding structures of 4338608, 4338609 via cif-deposit CGI script.	4338608.cif