Crystallography Open Database

Information card for entry 4349933

Preview

Coordinates	4349933.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Mn(L1)2
Formula	C62 H68 Mn P2
Calculated formula	C62 H68 Mn P2
SMILES	[c]12([c]3([c]4([c]5([c]1(CC)[Mn]16782345[c]2([c]1([c]6([c]7([c]82CC)CC)CC)CC)c1c(cccc1)P(c1ccccc1)c1ccccc1)CC)CC)CC)c1c(cccc1)P(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	13.5013 ± 0.0002 Å
b	13.5013 ± 0.0002 Å
c	27.8106 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5069.5 ± 0.2 Å³
Cell temperature	179.99 ± 0.1 K
Ambient diffraction temperature	179.99 ± 0.1 K
Number of distinct elements	4
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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.	4349933.cif