Crystallography Open Database

Information card for entry 8105860

Preview

Coordinates	8105860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 Cd N10 O7
Calculated formula	C28 H32 Cd N10 O7
Title of publication	Crystal structure of poly[(μ2-1,3-bis(imidazol-1-ylmethyl)benzene-κ2 N:N′)(nitrato-κ1 O)cadmium(II)] — water (2/1), C28H32CdN10O7
Authors of publication	Wang, Bo; Zhou, Yu; Wang, Yu; Chen, Gao-Hui; Lian, Qi-Xin; Wang, Hai-Dong
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	4
Pages of publication	817 - 818
a	8.2649 ± 0.0005 Å
b	9.7841 ± 0.0006 Å
c	10.0808 ± 0.0006 Å
α	94.069 ± 0.007°
β	104.912 ± 0.007°
γ	97.695 ± 0.007°
Cell volume	775.89 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0458
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
278165 (current)	2022-09-26	cif/ Adding structures of 8105860 via cif-deposit CGI script.	8105860.cif