Crystallography Open Database

Information card for entry 7049556

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Coordinates	7049556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H36 Cl2 N P Ru S2
Calculated formula	C31 H36 Cl2 N P Ru S2
Title of publication	Acceptorless dehydrogenative construction of C[double bond, length as m-dash]N and C[double bond, length as m-dash]C bonds through catalytic aza-Wittig and Wittig reactions in the presence of an air-stable ruthenium pincer complex.
Authors of publication	Biswas, Nandita; Das, Kalicharan; Sardar, Bitan; Srimani, Dipankar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	19
Pages of publication	6501 - 6512
a	10.7565 ± 0.0006 Å
b	12.0194 ± 0.0007 Å
c	12.736 ± 0.0008 Å
α	90.215 ± 0.005°
β	92.041 ± 0.005°
γ	107.252 ± 0.005°
Cell volume	1571.34 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0705
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
224174 (current)	2019-11-08	cif/ Updating files of 7049554, 7049555, 7049556 Original log message: Adding full bibliography for 7049554--7049556.cif.	7049556.cif
214481	2019-04-04	cif/ Adding structures of 7049554, 7049555, 7049556 via cif-deposit CGI script.	7049556.cif