Crystallography Open Database

Information card for entry 7700598

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Structure parameters

Formula	C24 H38 B F4 N P Rh
Calculated formula	C24 H38 B F4 N P Rh
Title of publication	Rh(i) and Ru(ii) phosphaamidine and phosphaguanidine (1,3-P,N) complexes and their activity for CO<sub>2</sub> hydrogenation.
Authors of publication	Kandel, Ramjee; Schatte, Gabriele; Jessop, Philip G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	33
Pages of publication	12512 - 12521
a	15.4994 ± 0.0004 Å
b	17.8762 ± 0.0005 Å
c	18.5967 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5152.6 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0428
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.082
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
301878 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure.	7700598.cif
223981	2019-11-07	cif/ Updating files of 7700596, 7700597, 7700598, 7700599, 7700600 Original log message: Adding full bibliography for 7700596--7700600.cif.	7700598.cif
217206	2019-07-23	cif/ Adding structures of 7700596, 7700597, 7700598, 7700599, 7700600 via cif-deposit CGI script.	7700598.cif