Crystallography Open Database

Information card for entry 4512103

Preview

Coordinates	4512103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H53 Co2 N11 O15 S2
Calculated formula	C57 H53 Co2 N11 O15 S2
Title of publication	Correlation of Mesh Size of Metal‒Carboxylate Layer with Degree of Interpenetration in Pillared-Layer Frameworks
Authors of publication	Lee, Cheng-Hua; Wu, Jing-Yun; Lee, Gene-Hsiang; Peng, Shie-Ming; Jiang, Jyh-Chiang; Lu, Kuang-Lieh
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	11
Pages of publication	5608
a	10.5038 ± 0.0003 Å
b	34.0884 ± 0.0008 Å
c	16.2118 ± 0.0004 Å
α	90°
β	95.3653 ± 0.0006°
γ	90°
Cell volume	5779.3 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0709
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1445
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179668 (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 4/51/21.	4512103.cif
126824	2014-11-11	cif/ Updating files of 4512103, 4512104 Original log message: Adding full bibliography for 4512103--4512104.cif.	4512103.cif
124971	2014-10-07	cif/ Adding structures of 4512103, 4512104 via cif-deposit CGI script.	4512103.cif