Crystallography Open Database

Information card for entry 7218079

Preview

Coordinates	7218079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 Cu N5 O7
Calculated formula	C28 H32 Cu N5 O7
Title of publication	A new 3D four-fold interpenetrateddia-like polymer: gas sorption and computational analyses
Authors of publication	Wu, Jian; Liu, Jian-Qiang; Jia, Zhen-Bin; Li, Qing-Lin; Li, Kai-Bang; Li, Hao; Daiguebonne, Carole; Calvez, Guillaume; Guillou, Olivier
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	45
Pages of publication	10410
a	16.417 ± 0.002 Å
b	16.417 ± 0.002 Å
c	6.598 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1778.3 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1116
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
180511 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/80.	7218079.cif
126350	2014-11-06	cif/ Updating files of 7218079 Original log message: Adding full bibliography for 7218079.cif.	7218079.cif
123688	2014-09-11	cif/ Adding structures of 7218079 via cif-deposit CGI script.	7218079.cif