Crystallography Open Database

Information card for entry 4512548

Preview

Coordinates	4512548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 Mn N3.33 O6
Calculated formula	C18 H12 Mn N3.33333 O6
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	7.57 ± 0.007 Å
b	10.63 ± 0.01 Å
c	16.062 ± 0.015 Å
α	97.955 ± 0.01°
β	94.363 ± 0.011°
γ	103.286 ± 0.01°
Cell volume	1238 ± 2 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	0.0693
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1627
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	4512548.cif
132753	2015-03-04	cif/ Updating files of 4512547, 4512548, 4512549, 4512550 Original log message: Adding full bibliography for 4512547--4512550.cif.	4512548.cif
129728	2015-01-17	cif/ Adding structures of 4512548 via cif-deposit CGI script.	4512548.cif