Crystallography Open Database

Information card for entry 4339695

Preview

Coordinates	4339695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H82 Mn6 N12 O33 P4 S4
Calculated formula	C96 H64 Mn6 N12 O33 P4 S4
Title of publication	Novel manganese(II) sulfonate-phosphonates with dinuclear, tetranuclear, and hexanuclear clusters.
Authors of publication	Du, Zi-Yi; Prosvirin, Andrey V.; Mao, Jiang-Gao
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9884 - 9894
a	15.987 ± 0.003 Å
b	16.587 ± 0.003 Å
c	19.414 ± 0.003 Å
α	82.378 ± 0.004°
β	80.176 ± 0.003°
γ	85.986 ± 0.004°
Cell volume	5021.9 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0846
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1363
Weighted residual factors for all reflections included in the refinement	0.1567
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179499 (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 4/33/96.	4339695.cif
117480	2014-06-15	cif/ Adding structures of 4339695 via cif-deposit CGI script.	4339695.cif