Crystallography Open Database

Information card for entry 4500738

Preview

Coordinates	4500738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 Mn N2 O14
Calculated formula	C38 H42 Mn N2 O14
Title of publication	Solvent-Induced Synthesis of Zinc(II) and Manganese(II) Coordination Polymers with a Semirigid Tetracarboxylic Acid
Authors of publication	Qu, Ling-Ling; Zhu, You-Long; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	6
Pages of publication	2444
a	10.4542 ± 0.0008 Å
b	13.814 ± 0.001 Å
c	13.9456 ± 0.0011 Å
α	77.074 ± 0.001°
β	78.232 ± 0.001°
γ	76.91 ± 0.001°
Cell volume	1886.8 ± 0.2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0802
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1403
Weighted residual factors for all reflections included in the refinement	0.1456
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
179538 (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 4/50/07.	4500738.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500738.cif
34615	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500735, 4500736, 4500737, 4500738 via cif-deposit CGI script.	4500738.cif