Crystallography Open Database

Information card for entry 8104618

Preview

Coordinates	8104618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H25 Cd N11 O8
Calculated formula	C30 H25 Cd N11 O8
Title of publication	Crystal structure of catena-poly[bis(µ2-3,5-bis(1-imidazolyl)pyridine-κ2 N:N′)-(µ2-3-nitrophthalato-k3 O,O′:O″)cadmium(II)] dihydrate, C30H25N11O8Cd
Authors of publication	Yin, Wei-Dong; Liu, Qian-Long; Zhao, Ya-Jing; Gong, Xiao-Ru; Li, Gui-Lian
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	5
Pages of publication	899 - 902
a	17.9344 ± 0.0003 Å
b	18.2722 ± 0.0003 Å
c	9.5619 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3133.44 ± 0.1 Å³
Cell temperature	293.28 ± 0.1 K
Ambient diffraction temperature	293.28 ± 0.1 K
Number of distinct elements	5
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	0.0416
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation probe	x-ray
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
273227 (current)	2022-03-03	cif/ Adding structures of 8104618 via cif-deposit CGI script.	8104618.cif