Crystallography Open Database

Information card for entry 7019316

7019315 << 7019316 >> 7019317

Preview

Coordinates	7019316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 Mo Na O6 S3
Calculated formula	C30 H36 Mo Na O6 S3
SMILES	[Mo]12345Sc6ccccc6[O]1[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]3c1c(S2)cccc1)[O]5c1c(S4)cccc1
Title of publication	Coordination site-dependent cation binding and multi-responsible redox properties of Janus-head metalloligand, [Mo(V)(1,2-mercaptophenolato)(3)].
Authors of publication	Matsumoto, Takeshi; Wakizaka, Masanori; Yano, Hirokazu; Kobayashi, Atsushi; Chang, Ho-Chol; Kato, Masako
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	27
Pages of publication	8303 - 8315
a	13.334 ± 0.003 Å
b	13.334 ± 0.003 Å
c	31.203 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	4804.5 ± 1.8 Å³
Cell temperature	223.1 K
Ambient diffraction temperature	223 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.2264
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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.	7019316.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019316.cif
62839	2012-07-09	cif/ Adding structures of 7019316, 7019317, 7019318, 7019319, 7019320 via cif-deposit CGI script.	7019316.cif