Crystallography Open Database

Information card for entry 7702372

Preview

Coordinates	7702372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Mn N4 O2 S2
Calculated formula	C16 H18 Mn N4 O2 S2
Title of publication	Novel sheet-like manganese(II) networks. Synthesis and structure of [Mn(bpe)(NCS)2(CH3OH)2] and [Mn(bpe)(NCS)2(CH3OH)2]·bpe [bpe = trans-1,2-bis(4-pyridyl)ethene]
Authors of publication	De Munno, Giovanni; Armentano, Donatella; Poerio, Teresa; Julve, Miguel; Real, José Antonio
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	11
Pages of publication	1813
a	10.382 ± 0.004 Å
b	13.482 ± 0.007 Å
c	14.038 ± 0.004 Å
α	90°
β	91.71 ± 0.03°
γ	90°
Cell volume	1964.9 ± 1.4 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	24.8
Residual factor for significantly intense reflections	8.61
Weighted residual factors for all reflections	17.57
Weighted residual factors for significantly intense reflections	10.33
Goodness-of-fit parameter for significantly intense reflections	2.04
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
287898 (current)	2023-11-30	cif/7/70/23/ Corrected the '_cell_angle_beta' data item values in entries 7702372, 7702373 after consulting the original publication. The correct values were also provided in the original file, however, using an incorrect data name '_cell_length_beta'.	7702372.cif
243843	2019-11-28	cif/ Adding structures of 7702372, 7702373 via cif-deposit CGI script.	7702372.cif