Crystallography Open Database

Information card for entry 4339700

Preview

Coordinates	4339700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H82 Cl2 Mn4 N16 O25 P2 S2
Calculated formula	C108 H72 Cl2 Mn4 N16 O25 P2 S2
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	15.352 ± 0.003 Å
b	13.628 ± 0.003 Å
c	26.195 ± 0.006 Å
α	90°
β	102.03 ± 0.003°
γ	90°
Cell volume	5360 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0935
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.2296
Weighted residual factors for all reflections included in the refinement	0.2507
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179500 (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 4/33/97.	4339700.cif
117486	2014-06-15	cif/ Adding structures of 4339700 via cif-deposit CGI script.	4339700.cif