Crystallography Open Database

Information card for entry 7013952

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Coordinates	7013952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H42 Ni P2 S2 Si2
Calculated formula	C32 H42 Ni P2 S2 Si2
SMILES	[Ni]1(S[Si](C)(C)C)(S[Si](C)(C)C)[P](CC[P]1(c1ccccc1)c1ccccc1)(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	10.309 ± 0.006 Å
b	27.5 ± 0.02 Å
c	13.133 ± 0.008 Å
α	90°
β	110.341 ± 0.007°
γ	90°
Cell volume	3491 ± 4 Å³
Cell temperature	153.1 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	0.064
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	7013952.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7013952.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7013952.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7013952.cif