Crystallography Open Database

Information card for entry 7714845

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Coordinates	7714845.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Howard UniversityUnited States of America
Formula	C35 H48 Ca Cl2 Mn2 N2 O13
Calculated formula	C35 H48 Ca Cl2 Mn2 N2 O13
Title of publication	Chemistry of a series of heterobimetallic complexes MnIII2(Ca<sup>II</sup>/Sr<sup>II</sup>)X<sub>2</sub> (X = Cl<sup>-</sup>, Br<sup>-</sup>).
Authors of publication	Bhattacharya, Priyabrata; Bag, Riya; Butcher, Ray J.; Behera, Snehanjali; Mondal, Biswajit; Goswami, Sanchita
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	5
Pages of publication	2324 - 2332
a	14.317 ± 0.001 Å
b	18.4788 ± 0.0014 Å
c	16.6261 ± 0.0012 Å
α	90°
β	104.813 ± 0.003°
γ	90°
Cell volume	4252.4 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1422
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
289480 (current)	2024-02-04	cif/ Updating files of 7714845, 7714846, 7714847, 7714848 Original log message: Adding full bibliography for 7714845--7714848.cif.	7714845.cif
288558	2023-12-28	cif/ Adding structures of 7714845, 7714846, 7714847, 7714848 via cif-deposit CGI script.	7714845.cif