Crystallography Open Database

Information card for entry 4132478

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Coordinates	4132478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H43 Al Cl N3 P2
Calculated formula	C27 H43 Al Cl N3 P2
SMILES	Cl[Al]123[P](CN3c3c([N]2(c2c(N1CP(C(C)C)C(C)C)cccc2)C)cccc3)(C(C)C)C(C)C
Title of publication	Rhodium Complexes Bearing PAlP Pincer Ligands.
Authors of publication	Hara, Naofumi; Saito, Teruhiko; Semba, Kazuhiko; Kuriakose, Nishamol; Zheng, Hong; Sakaki, Shigeyoshi; Nakao, Yoshiaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	23
Pages of publication	7070 - 7073
a	11.416 ± 0.003 Å
b	11.745 ± 0.003 Å
c	12.139 ± 0.003 Å
α	76.321 ± 0.011°
β	70.418 ± 0.01°
γ	83.516 ± 0.011°
Cell volume	1489 ± 0.7 Å³
Cell temperature	143 K
Ambient diffraction temperature	143 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	0.973
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
242451 (current)	2019-11-26	cif/ Adding structures of 4132478 via cif-deposit CGI script.	4132478.cif