Crystallography Open Database

Information card for entry 4349932

Preview

Coordinates	4349932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H68 Br2 Mn2 P2
Calculated formula	C62 H68 Br2 Mn2 P2
SMILES	[c]123[c]4(CC)[c]([c]5([c]62CC)CC)(CC)[Mn]23456([Br][Mn]34567([c]8([c]4([c]5([c]6([c]78CC)c4ccccc4[P]3(c3ccccc3)c3ccccc3)CC)CC)CC)[Br]2)[P](c2c1cccc2)(c1ccccc1)c1ccccc1
Title of publication	Synthesis and characterization of manganese(ii) complexes supported by cyclopentadienyl-phosphine ligands
Authors of publication	Wang, Gao-Xiang; Yin, Jianhao; Li, Jiapeng; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	2
Pages of publication	428
a	12.2781 ± 0.0004 Å
b	14.9823 ± 0.0004 Å
c	15.6542 ± 0.0005 Å
α	90°
β	98.494 ± 0.003°
γ	90°
Cell volume	2848.07 ± 0.15 Å³
Cell temperature	179.98 ± 0.1 K
Ambient diffraction temperature	179.98 ± 0.1 K
Number of distinct elements	5
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	0.0339
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
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
236956 (current)	2019-11-24	cif/ Adding structures of 4349928, 4349929, 4349930, 4349931, 4349932, 4349933 via cif-deposit CGI script.	4349932.cif