Crystallography Open Database

Information card for entry 7714594

Preview

Coordinates	7714594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H108 Cl13 Fe5 N12
Calculated formula	C102 H108 Cl13 Fe5 N12
Title of publication	Enhancing isoprene polymerization with high activity and adjustable monomer enchainment using cyclooctyl-fused iminopyridine iron precatalysts.
Authors of publication	Yousuf, Nighat; Ma, Yanping; Mahmood, Qaiser; Zhang, Wenjuan; Wang, Yizhou; Saeed, Hassan; Sun, Wen-Hua
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	2
Pages of publication	753 - 764
a	12.444 ± 0.0005 Å
b	12.444 ± 0.0005 Å
c	20.0425 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	2687.8 ± 0.2 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	5
Space group number	143
Hermann-Mauguin space group symbol	P 3
Hall space group symbol	P 3
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289517 (current)	2024-02-04	cif/ Updating files of 7714594, 7714595, 7714596 Original log message: Adding full bibliography for 7714594--7714596.cif.	7714594.cif
287913	2023-12-01	cif/ Adding structures of 7714594, 7714595, 7714596 via cif-deposit CGI script.	7714594.cif