Crystallography Open Database

Information card for entry 4347577

Preview

Coordinates	4347577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H45 Cl4 In2 N5 O2
Calculated formula	C24 H45 Cl4 In2 N5 O2
SMILES	C1C[N]2(Cc3c4c(cc(c3)C(C)(C)C)C[N]3(CC[N](C)(C)[In]53([O]4[In]2([N]1(C)C)([OH]5)(Cl)Cl)(Cl)Cl)C)C.CC#N
Title of publication	Dinucleating Ligand Platforms Supporting Indium and Zinc Catalysts for Cyclic Ester Polymerization.
Authors of publication	Kremer, Alexandre B.; Osten, Kimberly M.; Yu, Insun; Ebrahimi, Tannaz; Aluthge, Dinesh C.; Mehrkhodavandi, Parisa
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	11
Pages of publication	5365 - 5374
a	15.31 ± 0.002 Å
b	11.246 ± 0.0017 Å
c	19.389 ± 0.003 Å
α	90°
β	104.472 ± 0.004°
γ	90°
Cell volume	3232.4 ± 0.8 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90.15 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	0.0694
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.0682
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232386 (current)	2019-11-23	cif/ Adding structures of 4347575, 4347576, 4347577, 4347578, 4347579 via cif-deposit CGI script.	4347577.cif