Crystallography Open Database

Information card for entry 7242802

Preview

Coordinates	7242802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H66 Mn N14 O22 P2
Calculated formula	C44 H50 Mn N14 O22 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	13.9445 ± 0.0012 Å
b	19.9094 ± 0.0016 Å
c	10.1085 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2806.4 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 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	0.0968
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1737
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	7242802.cif
265080	2021-05-11	cif/ Adding structures of 7242802, 7242803, 7242804 via cif-deposit CGI script.	7242802.cif