Crystallography Open Database

Information card for entry 4001075

Preview

Coordinates	4001075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H30 Cu3 N3 O12
Calculated formula	C51 H30 Cu3 N3 O12
Title of publication	New Interpenetrated Copper Coordination Polymer Frameworks having Porous Properties
Authors of publication	Kanoo, Prakash; Matsuda, Ryotaro; Higuchi, Masakazu; Kitagawa, Susumu; Maji, Tapas Kumar
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	24
Pages of publication	5860
a	17.25 ± 0.01 Å
b	19.467 ± 0.009 Å
c	14.031 ± 0.012 Å
α	90°
β	95.22 ± 0.05°
γ	90°
Cell volume	4692 ± 5 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001075.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001075.cif
38960	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4001075, 4001076 via cif-deposit CGI script.	4001075.cif