Crystallography Open Database

Information card for entry 7220508

7220507 << 7220508 >> 7220509

Preview

Coordinates	7220508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15.5 Cu0.5 N2.5 O3
Calculated formula	C16 H12.5 Cu0.5 N2.5 O3
Title of publication	Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene
Authors of publication	Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	26
Pages of publication	4883
a	12.725 ± 0.005 Å
b	18.008 ± 0.008 Å
c	13.521 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3098 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7220508.cif
143369	2015-07-10	cif/ Updating files of 7220504, 7220505, 7220506, 7220507, 7220508, 7220509 Original log message: Adding full bibliography for 7220504--7220509.cif.	7220508.cif
137078	2015-05-21	cif/ Adding structures of 7220504, 7220505, 7220506, 7220507, 7220508, 7220509 via cif-deposit CGI script.	7220508.cif