Crystallography Open Database

Information card for entry 7247509

Preview

Coordinates	7247509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 Cl2 Fe N2 P
Calculated formula	C24 H27 Cl2 Fe N2 P
SMILES	[Fe]12(Cl)(Cl)[P](CC[NH]2C2CCCc3ccc([n]1c23)C)(c1ccccc1)c1ccccc1
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	12.0833 ± 0.0001 Å
b	15.7285 ± 0.0001 Å
c	12.5479 ± 0.0001 Å
α	90°
β	99.96 ± 0.001°
γ	90°
Cell volume	2348.81 ± 0.03 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	7247509.cif