Crystallography Open Database

Information card for entry 7242804

Preview

Coordinates	7242804.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	damp-cd-bpe-MI-343
Formula	C45 H62 Cd N14 O19 P2
Calculated formula	C45 H50 Cd N14 O19 P2
Title of publication	Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes
Authors of publication	Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	23
Pages of publication	4175 - 4180
a	13.9986 ± 0.0005 Å
b	19.9756 ± 0.0007 Å
c	10.1006 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2824.44 ± 0.18 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
267133 (current)	2021-07-05	cif/ Updating files of 7242802, 7242803, 7242804 Original log message: Adding full bibliography for 7242802--7242804.cif.	7242804.cif
265080	2021-05-11	cif/ Adding structures of 7242802, 7242803, 7242804 via cif-deposit CGI script.	7242804.cif