Crystallography Open Database

Information card for entry 7242803

Preview

Coordinates	7242803.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	amp-cd-bpe
Formula	C22 H42 Cd N7 O17 P
Calculated formula	C22 H32 Cd N7 O17 P
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	6.8541 ± 0.0005 Å
b	10.2632 ± 0.0007 Å
c	14.0271 ± 0.001 Å
α	111.04 ± 0.002°
β	93.282 ± 0.002°
γ	92.104 ± 0.002°
Cell volume	917.7 ± 0.11 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0244
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.066
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
267133 (current)	2021-07-05	cif/ Updating files of 7242802, 7242803, 7242804 Original log message: Adding full bibliography for 7242802--7242804.cif.	7242803.cif
265080	2021-05-11	cif/ Adding structures of 7242802, 7242803, 7242804 via cif-deposit CGI script.	7242803.cif