Crystallography Open Database

Information card for entry 4001076

Preview

Coordinates	4001076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H13 Cu N O4.5
Calculated formula	C18 H13 Cu N O4.5
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	17.094 ± 0.003 Å
b	19.605 ± 0.003 Å
c	11.782 ± 0.002 Å
α	90°
β	113.95 ± 0.004°
γ	90°
Cell volume	3608.5 ± 1 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1709
Weighted residual factors for all reflections included in the refinement	0.1903
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4001076.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001076.cif
38960	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4001075, 4001076 via cif-deposit CGI script.	4001076.cif