Crystallography Open Database

Information card for entry 8107169

Preview

Coordinates	8107169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Cd N2 O7
Calculated formula	C20 H20 Cd N2 O7
Title of publication	The crystal structure of catena-poly[aqua-2,2′bipyridine-κ2 N,N′-(μ2-5-ethoxyisophthalato-κ 4 O,O′:Oʺ,O′ʺ)cadmium(II)] monohydrate, C20H20CdN2O7
Authors of publication	Zhang, Lilei; Chang, Deming; Dun, Mengdan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	4
Pages of publication	615 - 617
a	9.0154 ± 0.0003 Å
b	17.7168 ± 0.0008 Å
c	12.8449 ± 0.0005 Å
α	90°
β	98.537 ± 0.004°
γ	90°
Cell volume	2028.91 ± 0.14 Å³
Cell temperature	288.32 ± 0.1 K
Ambient diffraction temperature	288.32 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0682
Weighted residual factors for all reflections included in the refinement	0.0715
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
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
283652 (current)	2023-05-10	cif/ Adding structures of 8107169 via cif-deposit CGI script.	8107169.cif