Crystallography Open Database

Information card for entry 4301638

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Coordinates	4301638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H66 Ni S2
Calculated formula	C62 H66 Ni S2
SMILES	[Ni]123456(Sc7c(cccc7c7c(cc(cc7C)C)C)[c]71[c]2([cH]3[c]4([cH]5[c]67C)C)C)Sc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.Cc1ccccc1.Cc1ccccc1
Title of publication	Synthesis and Reactions of Mono- and Dinuclear Ni(I) Thiolate Complexes
Authors of publication	Mikinao Ito; Tsuyoshi Matsumoto; Kazuyuki Tatsumi
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	2215 - 2223
a	12.445 ± 0.002 Å
b	14.829 ± 0.002 Å
c	15.151 ± 0.003 Å
α	74.185 ± 0.007°
β	79.903 ± 0.007°
γ	70.441 ± 0.006°
Cell volume	2524.1 ± 0.7 Å³
Cell temperature	173.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for all reflections included in the refinement	0.1549
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4301638.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301638.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301638.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301638.cif