Crystallography Open Database

Information card for entry 4338452

Preview

Coordinates	4338452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H71 N O3 P S V
Calculated formula	C52 H71 N O3 P S V
SMILES	[V]12(Sc3c(cc(cc3C)C)C)(Oc3c(cc(cc3P(=[O]2)(c2ccccc2)c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[NH](C)C.c1(ccccc1)C
Title of publication	Synthesis of V/Fe/S Clusters Using Vanadium(III) Thiolate Complexes Bearing a Phenoxide-Based Tridentate Ligand.
Authors of publication	Taniyama, Nobuhiro; Ohki, Yasuhiro; Tatsumi, Kazuyuki
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	11
Pages of publication	5438 - 5446
a	16.251 ± 0.005 Å
b	21.181 ± 0.006 Å
c	16.277 ± 0.005 Å
α	90°
β	114.506 ± 0.004°
γ	90°
Cell volume	5098 ± 3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
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	0.0493
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
179487 (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 4/33/84.	4338452.cif
115720	2014-06-05	cif/ Updating files of 4338450, 4338451, 4338452, 4338453, 4338454, 4338455 Original log message: Adding full bibliography for 4338450--4338455.cif.	4338452.cif
113981	2014-05-20	cif/ Adding structures of 4338450, 4338451, 4338452, 4338453, 4338454, 4338455 via cif-deposit CGI script.	4338452.cif