Crystallography Open Database

Information card for entry 1571268

Preview

Coordinates	1571268.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>trans</i>-Dibromidotetrakis(5-methyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)\ manganese(II)
Formula	C16 H24 Br2 Mn N8
Calculated formula	C16 H24 Br2 Mn N8
SMILES	Cc1cc[n]([nH]1)[Mn]([n]1ccc(C)[nH]1)([n]1ccc(C)[nH]1)([n]1ccc(C)[nH]1)(Br)Br
Title of publication	trans-Dibromidotetrakis(5-methyl-1H-pyrazole-κN 2)manganese(II)
Authors of publication	Athan, Manikumar; Krishnan, Soundararajan; Loganathan, Nagarajan
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	3
Pages of publication	x240237
a	7.6288 ± 0.0003 Å
b	8.753 ± 0.0004 Å
c	9.3794 ± 0.0004 Å
α	90.707 ± 0.004°
β	106.138 ± 0.004°
γ	114.285 ± 0.005°
Cell volume	542.62 ± 0.05 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.064
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1571268.cif
290616	2024-03-23	cif/ Adding structures of 1571268 via cif-deposit CGI script.	1571268.cif