Crystallography Open Database

Information card for entry 7248599

Preview

Coordinates	7248599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H30 Cd N5 O12 P
Calculated formula	C21 H30 Cd N5 O12 P
Title of publication	Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes
Authors of publication	Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	21
Pages of publication	2775 - 2783
a	8.6015 ± 0.0017 Å
b	11.121 ± 0.002 Å
c	13.895 ± 0.003 Å
α	90°
β	90.292 ± 0.007°
γ	90°
Cell volume	1329.1 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0775
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
292987 (current)	2024-07-05	cif/ Updating files of 7248599, 7248600, 7248601, 7248602, 7248603 Original log message: Adding full bibliography for 7248599--7248603.cif.	7248599.cif
291831	2024-05-14	cif/ Adding structures of 7248599, 7248600, 7248601, 7248602, 7248603 via cif-deposit CGI script.	7248599.cif