Crystallography Open Database

Information card for entry 7247506

Preview

Coordinates	7247506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H35 Cl2 Fe N2 P
Calculated formula	C32 H35 Cl2 Fe N2 P
SMILES	[Fe]1(Cl)(Cl)[n]2c(c3c(cc(cc3C)C)C)ccc3CCCC([NH]1CCP(c1ccccc1)c1ccccc1)c23
Title of publication	N-(2-(Diphenylphosphino)ethyl)-2-alkyl-5,6,7,8-tetrahydro-quinolin-8-amines iron(ii) complexes: structural diversity and the ring opening polymerization of ε-caprolactone
Authors of publication	Wang, Yun; Zhang, Wenjuan; Wang, Xing; Zuo, Weiwei; Xue, Xiaopan; Ma, Yanping; Sun, Wen-Hua
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	43
Pages of publication	29866 - 29878
a	10.8311 ± 0.0002 Å
b	11.3008 ± 0.0002 Å
c	24.9795 ± 0.0004 Å
α	90°
β	91.011 ± 0.002°
γ	90°
Cell volume	3057.02 ± 0.09 Å³
Cell temperature	170.15 K
Ambient diffraction temperature	170.15 K
Number of distinct elements	6
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	0.0809
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.2064
Weighted residual factors for all reflections included in the refinement	0.2143
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286955 (current)	2023-10-13	cif/ Adding structures of 7247504, 7247505, 7247506, 7247507, 7247508, 7247509 via cif-deposit CGI script.	7247506.cif