Crystallography Open Database

Information card for entry 7019317

7019316 << 7019317 >> 7019318

Preview

Coordinates	7019317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H48 Mo N O3 S3
Calculated formula	C34 H48 Mo N O3 S3
SMILES	[Mo]123(Sc4ccccc4O1)(Sc1ccccc1O2)Sc1ccccc1O3.[N+](CCCC)(CCCC)(CCCC)CCCC
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	9.6 ± 0.003 Å
b	18.538 ± 0.005 Å
c	19.72 ± 0.006 Å
α	90°
β	97.4835 ± 0.0011°
γ	90°
Cell volume	3479.6 ± 1.8 Å³
Cell temperature	223.1 K
Ambient diffraction temperature	223 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	0.0467
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	0.842
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.	7019317.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019317.cif
62839	2012-07-09	cif/ Adding structures of 7019316, 7019317, 7019318, 7019319, 7019320 via cif-deposit CGI script.	7019317.cif