Crystallography Open Database

Information card for entry 7049555

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Coordinates	7049555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H58 Cl4 N4 P2 Ru2 S2
Calculated formula	C64 H58 Cl4 N4 P2 Ru2 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	10.137 ± 0.0004 Å
b	11.4066 ± 0.0004 Å
c	16.0632 ± 0.0006 Å
α	73.196 ± 0.002°
β	80.92 ± 0.002°
γ	67.294 ± 0.002°
Cell volume	1638 ± 0.11 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	0.0643
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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.	7049555.cif
214481	2019-04-04	cif/ Adding structures of 7049554, 7049555, 7049556 via cif-deposit CGI script.	7049555.cif