Crystallography Open Database

Information card for entry 7158197

Preview

Coordinates	7158197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H33 Cl2 I2 O P2 Rh
Calculated formula	C38 H33 Cl2 I2 O P2 Rh
SMILES	[RhH](C#[O])(I)(I)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
Title of publication	Hydroxycarbonylation of alkenes with formic acid using a rhodium iodide complex and alkyl ammonium iodide.
Authors of publication	Okada, Masaki; Takeuchi, Katsuhiko; Matsumoto, Kazuhiro; Oku, Tomoharu; Choi, Jun-Chul
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	40
Pages of publication	8727 - 8734
a	10.1542 ± 0.0002 Å
b	13.7673 ± 0.0003 Å
c	14.3456 ± 0.0003 Å
α	72.6361 ± 0.0019°
β	88.2388 ± 0.0016°
γ	74.6748 ± 0.0018°
Cell volume	1843.48 ± 0.07 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0256
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	1.305
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270507 (current)	2021-11-06	cif/ Updating files of 7158197 Original log message: Adding full bibliography for 7158197.cif.	7158197.cif
267812	2021-07-29	cif/ Adding structures of 7158197 via cif-deposit CGI script.	7158197.cif