Crystallography Open Database

Information card for entry 7049554

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Coordinates	7049554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H35 Cl2 N P Ru S2
Calculated formula	C37 H35 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	9.7186 ± 0.0006 Å
b	11.8743 ± 0.0007 Å
c	18.0974 ± 0.0011 Å
α	71.496 ± 0.004°
β	79.588 ± 0.004°
γ	79.316 ± 0.004°
Cell volume	1929.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0906
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1626
Weighted residual factors for all reflections included in the refinement	0.1827
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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.	7049554.cif
214481	2019-04-04	cif/ Adding structures of 7049554, 7049555, 7049556 via cif-deposit CGI script.	7049554.cif