Crystallography Open Database

Information card for entry 4500300

Preview

Coordinates	4500300.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Co3(G1)2(DPA)2(OH2)2]-H2O
Formula	C54 H40 Co3 N8 O15
Calculated formula	C54 H34 Co3 N8 O15
Title of publication	Syntheses, Characterization, and Properties of Three-Dimensional Pillared Frameworks with Entanglement
Authors of publication	Su, Zhi; Fan, Jian; Chen, Min; Okamura, Taka-aki; Sun, Wei-Yin
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	4
Pages of publication	1159
a	18.8457 ± 0.0016 Å
b	13.6944 ± 0.0016 Å
c	20.315 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5242.9 ± 0.9 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.1869
Weighted residual factors for all reflections included in the refinement	0.1928
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179534 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/03.	4500300.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500300.cif
34440	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500299, 4500300, 4500301, 4500302, 4500303, 4500304 via cif-deposit CGI script.	4500300.cif