Crystallography Open Database

Information card for entry 4517329

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Structure parameters

Formula	C56 H56 B F26 P2 Rh
Calculated formula	C56 H56 B F26 P2 Rh
Title of publication	Solid–State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization
Authors of publication	Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.
Journal of publication	ACS Catalysis
Year of publication	2020
Pages of publication	1984 - 1992
a	35.55 ± 0.0005 Å
b	17.7103 ± 0.0002 Å
c	18.7565 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	11809.1 ± 0.3 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1167
Residual factor for significantly intense reflections	0.1069
Weighted residual factors for significantly intense reflections	0.278
Weighted residual factors for all reflections included in the refinement	0.2856
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
301843 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure.	4517329.cif
257028	2020-10-04	cif/ Updating files of 4517328, 4517329, 4517330, 4517331, 4517332, 4517333 Original log message: Adding full bibliography for 4517328--4517333.cif.	4517329.cif
247199	2020-01-25	cif/ Adding structures of 4517328, 4517329, 4517330, 4517331, 4517332, 4517333 via cif-deposit CGI script.	4517329.cif