Crystallography Open Database

Information card for entry 4506795

Preview

Coordinates	4506795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H38 Mn3 N2 O17
Calculated formula	C43 H38 Mn3 N2 O17
Title of publication	Two- and Three-Dimensional Divalent Metal Coordination Polymers Constructed from a New Tricarboxylate Linker and Dipyridyl Ligands
Authors of publication	Chang, Xin-Hong; Qin, Jian-Hua; Ma, Lu-Fang; Wang, Jian-Ge; Wang, Li-Ya
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	9
Pages of publication	4649
a	9.503 ± 0.009 Å
b	11.211 ± 0.01 Å
c	20.271 ± 0.018 Å
α	76.345 ± 0.012°
β	86.308 ± 0.012°
γ	83.617 ± 0.012°
Cell volume	2084 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1309
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1605
Weighted residual factors for all reflections included in the refinement	0.1975
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
179603 (current)	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 4/50/67.	4506795.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506795.cif
71820	2013-01-21	cif/ Adding structures of 4506795 via cif-deposit CGI script.	4506795.cif