Crystallography Open Database

Information card for entry 1572509

Preview

Coordinates	1572509.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	carbonyl-hydrido-(bis(2-(diphenylphosphino)ethyl)amine)-(N-benzylformamide)-ruthenium N-benzylformamide
Formula	C45 H47 N3 O3 P2 Ru
Calculated formula	C45 H47 N3 O3 P2 Ru
SMILES	[RuH]12([P](c3ccccc3)(c3ccccc3)CC[NH]2CC[P]1(c1ccccc1)c1ccccc1)(N(C=O)Cc1ccccc1)C#[O].N(Cc1ccccc1)C=O
Title of publication	Exploiting decarbonylation and dehydrogenation of formamides for the synthesis of ureas, polyureas, and poly(urea-urethanes).
Authors of publication	Luk, James; Goodfellow, Alister S.; More, Nachiket Deepak; Bühl, Michael; Kumar, Amit
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	40
Pages of publication	16594 - 16604
a	10.3385 ± 0.0002 Å
b	12.963 ± 0.0002 Å
c	15.3995 ± 0.0004 Å
α	85.247 ± 0.002°
β	80.723 ± 0.002°
γ	85.758 ± 0.001°
Cell volume	2025.95 ± 0.07 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 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	0.0652
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation probe	x-ray
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
296424 (current)	2024-12-06	cif/ Updating files of 1572508, 1572509 Original log message: Adding full bibliography for 1572508--1572509.cif.	1572509.cif
294396	2024-09-06	cif/ Adding structures of 1572508, 1572509 via cif-deposit CGI script.	1572509.cif