Crystallography Open Database

Information card for entry 7013953

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Coordinates	7013953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H54 Ni P2 S2 Si2
Calculated formula	C38 H54 Ni P2 S2 Si2
SMILES	[Ni]1(S[Si](C)(C)C(C)(C)C)(S[Si](C)(C)C(C)(C)C)[P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1
Title of publication	Synthesis and structural characterization of silanethiolato complexes having tert-butyldimethylsilyl and trimethylsilyl groups.
Authors of publication	Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2004
Journal issue	10
Pages of publication	1618 - 1625
a	10.802 ± 0.002 Å
b	26.287 ± 0.004 Å
c	14.132 ± 0.002 Å
α	90°
β	92.561 ± 0.003°
γ	90°
Cell volume	4008.8 ± 1.1 Å³
Cell temperature	193.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.226
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7013953.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7013953.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7013953.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7013953.cif