Crystallography Open Database

Information card for entry 8106285

Preview

Coordinates	8106285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H60 Cd4 N12 O16
Calculated formula	C100 H60 Cd4 N12 O16
Title of publication	Crystal structure of catena-poly[(μ3-5-carboxy-2-(pyridin-4-yl)benzoato-κ5 O,O′:O′′,O′′′:O′′′)(1,10-phenanthroline-κ2 N,N′)cadmium(II)], C100H60N12O16Cd4
Authors of publication	Song, Wei; Xu, Xue-Li; Yang, Yan-Ju; Li, Shi-Hui
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	5
Pages of publication	755 - 756
a	21.2654 ± 0.0005 Å
b	11.1493 ± 0.0003 Å
c	17.3039 ± 0.0004 Å
α	90°
β	97.774 ± 0.002°
γ	90°
Cell volume	4064.95 ± 0.17 Å³
Cell temperature	289.23 ± 0.1 K
Ambient diffraction temperature	289.23 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.024
Residual factor for significantly intense reflections	0.0213
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0559
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
279606 (current)	2022-11-28	cif/ Adding structures of 8106285 via cif-deposit CGI script.	8106285.cif