Crystallography Open Database

Information card for entry 4341443

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Structure parameters

Formula	C15 H34 F12 Mn N4 O3 P2
Calculated formula	C15 H34 F12 Mn N4 O3 P2
Title of publication	Influence of Calcium(II) and Chloride on the Oxidative Reactivity of a Manganese(II) Complex of a Cross-Bridged Cyclen Ligand
Authors of publication	Zhang, Zhan; Coats, Katherine L.; Chen, Zhuqi; Hubin, Timothy J.; Yin, Guochuan
Journal of publication	Inorganic Chemistry
Year of publication	2014
Pages of publication	141106145049000
a	13.392 ± 0.003 Å
b	10.614 ± 0.002 Å
c	19.239 ± 0.004 Å
α	90°
β	90.29 ± 0.03°
γ	90°
Cell volume	2734.6 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1274
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.1587
Weighted residual factors for all reflections included in the refinement	0.1837
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4341443.cif
179517	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14.	4341443.cif
126609	2014-11-07	cif/ Adding structures of 4341443 via cif-deposit CGI script.	4341443.cif