Crystallography Open Database

Information card for entry 7247822

Preview

Coordinates	7247822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H29 Co N4 O13 P
Calculated formula	C19 H29 Co N4 O13 P
Title of publication	Mimic uracil–uracil base pairing: self-assembly and single crystal structure
Authors of publication	Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	3
Pages of publication	261 - 267
a	7.9718 ± 0.0005 Å
b	14.0812 ± 0.0009 Å
c	11.5373 ± 0.0008 Å
α	90°
β	95.204 ± 0.002°
γ	90°
Cell volume	1289.75 ± 0.15 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.0436
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.0664
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
289457 (current)	2024-02-04	cif/ Updating files of 7247822, 7247823, 7247824, 7247825, 7247826 Original log message: Adding full bibliography for 7247822--7247826.cif.	7247822.cif
288022	2023-12-05	cif/ Adding structures of 7247822, 7247823, 7247824, 7247825, 7247826 via cif-deposit CGI script.	7247822.cif