Crystallography Open Database

Information card for entry 4512549

Preview

Coordinates	4512549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H60 Mn3 N8 O24
Calculated formula	C72 H60 Mn3 N8 O24
Title of publication	Five Mn(II) Coordination Polymers Based on 2,3′,5,5′-Biphenyl Tetracarboxylic Acid: Syntheses, Structures, and Magnetic Properties
Authors of publication	Zhao, Ying; Chang, Xin-Hong; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	2
Pages of publication	966
a	9.5561 ± 0.0009 Å
b	17.3966 ± 0.0014 Å
c	22.1223 ± 0.0016 Å
α	90°
β	112.042 ± 0.003°
γ	90°
Cell volume	3408.9 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1292
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
179672 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/25.	4512549.cif
132753	2015-03-04	cif/ Updating files of 4512547, 4512548, 4512549, 4512550 Original log message: Adding full bibliography for 4512547--4512550.cif.	4512549.cif
129729	2015-01-17	cif/ Adding structures of 4512549 via cif-deposit CGI script.	4512549.cif