Crystallography Open Database

Information card for entry 7054575

Preview

Coordinates	7054575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H34 Cu2 N14 O18
Calculated formula	C42 H34 Cu2 N14 O18
Title of publication	Coordination polymers with free Brønsted acid sites for selective catalysis
Authors of publication	Ma, Lu-Fang; Shi, Zhen-Zhen; Li, Fei-Fei; Zhang, Jian; Wang, Li-Ya
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	2
Pages of publication	810
a	10.272 ± 0.003 Å
b	15.184 ± 0.004 Å
c	16.2 ± 0.004 Å
α	100.009 ± 0.003°
β	99.61 ± 0.003°
γ	108.045 ± 0.003°
Cell volume	2299.2 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0942
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.1587
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
180099 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/45.	7054575.cif
131099	2015-02-04	cif/ Updating files of 7054574, 7054575 Original log message: Adding full bibliography for 7054574--7054575.cif.	7054575.cif
128063	2014-12-03	cif/ Adding structures of 7054574, 7054575 via cif-deposit CGI script.	7054575.cif