Crystallography Open Database

Information card for entry 7714848

Preview

Coordinates	7714848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C131.29 H171.18 Br8.7 Ca4 Mn8 N8 O50.3
Calculated formula	C131.284 H171.136 Br8.716 Ca4 Mn8 N8 O50.284
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	14.2052 ± 0.0013 Å
b	17.5541 ± 0.0015 Å
c	16.6179 ± 0.0016 Å
α	90°
β	103.82 ± 0.003°
γ	90°
Cell volume	4023.9 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1166
Residual factor for significantly intense reflections	0.0872
Weighted residual factors for significantly intense reflections	0.2339
Weighted residual factors for all reflections included in the refinement	0.261
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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.	7714848.cif
288558	2023-12-28	cif/ Adding structures of 7714845, 7714846, 7714847, 7714848 via cif-deposit CGI script.	7714848.cif