Crystallography Open Database

Information card for entry 7702904

Preview

Coordinates	7702904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 Cu9 N24 O27 S2
Calculated formula	C12 H16 Cu9 N24 O27 S2
Title of publication	A 3D Cu(ii) tetrazolate coordination polymer based on pentanuclear units with a large coercive field.
Authors of publication	Sun, Wu-Juan; Li, Lei-Lei; Liu, Xiang-Yu; Liu, Shuang; Ke, Cong-Yu; Zhang, Qun-Zheng; Zhang, Xun-Li
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	3
Pages of publication	651 - 658
a	10.4983 ± 0.0006 Å
b	30.2025 ± 0.0016 Å
c	16.589 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5260 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0576
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
247754 (current)	2020-02-04	cif/ Updating files of 7702904 Original log message: Adding full bibliography for 7702904.cif.	7702904.cif
244794	2019-11-29	cif/ Adding structures of 7702904 via cif-deposit CGI script.	7702904.cif