Crystallography Open Database

Information card for entry 4513445

Preview

Coordinates	4513445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H48 Co2 N4 O13
Calculated formula	C54 H48 Co2 N4 O13
Title of publication	Influence of Angular Dicarboxylate Ligand on the Structures of Single and Double Pillared-Layer Coordination Polymers of Co(II)
Authors of publication	Park, In-Hyeok; Medishetty, Raghavender; Lee, Hyeong-Hwan; Herng, Tun Seng; Ding, Jun; Lee, Shim Sung; Vittal, Jagadese J.
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	8
Pages of publication	4156
a	13.7327 ± 0.0004 Å
b	24.6637 ± 0.0008 Å
c	16.181 ± 0.0005 Å
α	90°
β	113.193 ± 0.001°
γ	90°
Cell volume	5037.6 ± 0.3 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0878
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
154572 (current)	2015-09-05	cif/ Updating files of 4513444, 4513445 Original log message: Adding full bibliography for 4513444--4513445.cif.	4513445.cif
152516	2015-07-25	cif/ Adding structures of 4513445 via cif-deposit CGI script.	4513445.cif