Crystallography Open Database

Information card for entry 7247505

Preview

Coordinates	7247505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H46 Cl2 Fe N2 P
Calculated formula	C38 H47 Cl2 Fe N2 P
SMILES	[Fe]1(Cl)(Cl)[n]2c(ccc3CCC[C@@H]([NH]1CCP(c1ccccc1)c1ccccc1)c23)c1c(cc(cc1C(C)C)C(C)C)C(C)C
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	10.4843 ± 0.0001 Å
b	12.9441 ± 0.0001 Å
c	14.1716 ± 0.0001 Å
α	90°
β	108.937 ± 0.001°
γ	90°
Cell volume	1819.13 ± 0.03 Å³
Cell temperature	170 ± 0.11 K
Ambient diffraction temperature	170 ± 0.11 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1646
Weighted residual factors for all reflections included in the refinement	0.1649
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
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.	7247505.cif