Crystallography Open Database

Information card for entry 4503796

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Structure parameters

Formula	C18 H24 Cl Mn N2 O7
Calculated formula	C18 H24 Cl Mn N2 O7
Title of publication	An Interesting Six-Connected 3D Nanowater Framework Constructed from Turbine-Type (H2O)18Clusters Based on a Mn(III) Complex
Authors of publication	Li, Chun-Hong; Huang, Kun-Lin; Dou, Jian-Min; Chi, Ying-Nan; Xu, Yan-Qing; Shen, Long; Wang, Da-Qi; Hu, Chang-Wen
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	9
Pages of publication	3141
a	26.501 ± 0.003 Å
b	26.501 ± 0.003 Å
c	16.0276 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	9748.2 ± 1.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1195
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1413
Weighted residual factors for all reflections included in the refinement	0.1901
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
301842 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure.	4503796.cif
179572	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/37.	4503796.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503796.cif
41770	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503796 via cif-deposit CGI script.	4503796.cif