Crystallography Open Database

Information card for entry 1567995

Preview

Coordinates	1567995.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	compound [RhCl(L1)(P(Ad)2(n-Bu))]
Formula	C45 H61 Cl4 N O3 P Rh
Calculated formula	C45 H61 Cl4 N O3 P Rh
Title of publication	Determination of accessibility and spatial distribution of chiral Rh diene complexes immobilized on SBA-15 via phosphine-based solid-state NMR probe molecules
Authors of publication	Rieg, Carolin; Kirchhof, Manuel; Gugeler, Katrin; Beurer, Ann-Katrin; Stein, Lukas; Dirnberger, Klaus; Frey, Wolfgang; Bruckner, Johanna R.; Traa, Yvonne; Kästner, Johannes; Ludwigs, Sabine; Laschat, Sabine; Dyballa, Michael
Journal of publication	Catalysis Science & Technology
Year of publication	2023
Journal volume	13
Journal issue	2
Pages of publication	410 - 425
a	10.862 ± 0.002 Å
b	19.566 ± 0.004 Å
c	12.2 ± 0.002 Å
α	90°
β	111.654 ± 0.01°
γ	90°
Cell volume	2409.8 ± 0.8 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281310 (current)	2023-03-04	cif/ Updating files of 1567995 Original log message: Adding full bibliography for 1567995.cif.	1567995.cif
279470	2022-11-23	cif/ Adding structures of 1567995 via cif-deposit CGI script.	1567995.cif