Crystallography Open Database

Information card for entry 2311114

Preview

Coordinates	2311114.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[[diaqua(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-1<i>H</i>-benzimidazole-5,6- dicarboxylato-κ^2^<i>N</i>^3^:<i>O</i>^6^] sesquihydrate}
Formula	C21 H19 Co N4 O7.5
Calculated formula	C21 H19 Co N4 O7.5
Title of publication	catena-Poly[[[diaqua-(1,10-phenanthroline-κ(2) N,N')cobalt(II)]-μ-1H-benzimidazole-5,6-dicarboxyl-ato-κ(2) N (3):O (6)] sesquihydrate}.
Authors of publication	Xu, Dong-Bo; Fang, Yu; Jiang, De-Li; Zhu, Yu; Chen, Min
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2012
Journal volume	68
Journal issue	Pt 12
Pages of publication	m1440 - 1
a	9.725 ± 0.0011 Å
b	11.3956 ± 0.0013 Å
c	19.296 ± 0.002 Å
α	90°
β	103.109 ± 0.002°
γ	90°
Cell volume	2082.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0517
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
245586 (current)	2019-12-25	cif/ Adding structures of 2311114 via cif-deposit CGI script.	2311114.cif