Crystallography Open Database

Information card for entry 4339698

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Structure parameters

Formula	C120 H92 Mn6 N16 O30 P4 S4
Calculated formula	C120 H92 Mn6 N16 O30 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	14.6347 ± 0.0001 Å
b	15.1733 ± 0.0003 Å
c	16.237 ± 0.0003 Å
α	112.272 ± 0.001°
β	93.13°
γ	114.91 ± 0.001°
Cell volume	2925.9 ± 0.09 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	0.0392
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4339698.cif
179499	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.	4339698.cif
117483	2014-06-15	cif/ Adding structures of 4339698 via cif-deposit CGI script.	4339698.cif