Crystallography Open Database

Information card for entry 4500515

Preview

Coordinates	4500515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 Co3 O12
Calculated formula	C28 H22 Co3 O12
Title of publication	Metal‒Organic Frameworks with Achiral/Monochiral Nano-Channels
Authors of publication	Yi, Xiao-Yi; Fang, Hua-Cai; Gu, Zhi-Gang; Zhou, Zheng-Yuan; Cai, Yue-Peng; Tian, Jian; Thallapally, Praveen K.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	7
Pages of publication	2824
a	6.3985 ± 0.0009 Å
b	19.848 ± 0.003 Å
c	21.634 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2747.5 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0225
Residual factor for significantly intense reflections	0.0209
Weighted residual factors for significantly intense reflections	0.0506
Weighted residual factors for all reflections included in the refinement	0.0513
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4500515.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500515.cif
34527	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500515 via cif-deposit CGI script.	4500515.cif