Crystallography Open Database

Information card for entry 4513444

Preview

Coordinates	4513444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H48 Co2 N4 O10
Calculated formula	C68 H48 Co2 N4 O10
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	17.9388 ± 0.0013 Å
b	9.2136 ± 0.0006 Å
c	26.536 ± 0.002 Å
α	90°
β	108.127 ± 0.004°
γ	90°
Cell volume	4168.2 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0972
Residual factor for significantly intense reflections	0.0785
Weighted residual factors for significantly intense reflections	0.2128
Weighted residual factors for all reflections included in the refinement	0.2251
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	4513444.cif
152515	2015-07-25	cif/ Adding structures of 4513444 via cif-deposit CGI script.	4513444.cif