Crystallography Open Database

Information card for entry 7054574

Preview

Coordinates	7054574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 Cu N7 O8
Calculated formula	C17 H15 Cu N7 O8
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	12.4021 ± 0.0012 Å
b	12.3286 ± 0.0012 Å
c	13.1324 ± 0.0013 Å
α	90°
β	105.544 ± 0.001°
γ	90°
Cell volume	1934.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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.	7054574.cif
131099	2015-02-04	cif/ Updating files of 7054574, 7054575 Original log message: Adding full bibliography for 7054574--7054575.cif.	7054574.cif
128063	2014-12-03	cif/ Adding structures of 7054574, 7054575 via cif-deposit CGI script.	7054574.cif