Crystallography Open Database

Information card for entry 7216756

Preview

Coordinates	7216756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H30 Cl Cu2 N7 O7
Calculated formula	C21 H30 Cl Cu2 N7 O7
Title of publication	Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties
Authors of publication	Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	34
Pages of publication	8027
a	9.2753 ± 0.0006 Å
b	22.6255 ± 0.0017 Å
c	13.334 ± 0.0008 Å
α	90°
β	110.287 ± 0.002°
γ	90°
Cell volume	2624.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1638
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1434
Weighted residual factors for all reflections included in the refinement	0.2025
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
180498 (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 7/21/67.	7216756.cif
121605	2014-08-08	cif/ Updating files of 7216755, 7216756, 7216757, 7216758 Original log message: Adding full bibliography for 7216755--7216758.cif.	7216756.cif
118034	2014-06-25	cif/ Adding structures of 7216755, 7216756, 7216757, 7216758 via cif-deposit CGI script.	7216756.cif