Crystallography Open Database

Information card for entry 7709677

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Coordinates	7709677.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 B N Ru S2
Calculated formula	C26 H32 B N Ru S2
SMILES	[Ru]123456([c]7([c]1([c]2([c]3([c]47C)C)C)C)C)Sc1sc2c(cccc2)[n]1[B](c1c(cc(cc1C)C)C)([H]6)[H]5
Title of publication	Cooperative B–H activation by Cp* based κ2-N,S-chelated Ru(ii) and Mo(ii) complexes (Cp* = η5-C5Me5)
Authors of publication	Saha, Suvam; Haridas, Anagha; Assanar, Faneesha; Bansal, Charu; Sudhadevi Antharjanam, P. K.; Ghosh, Sundargopal
Journal of publication	Dalton Transactions
Year of publication	2022
a	18.1446 ± 0.0016 Å
b	15.785 ± 0.003 Å
c	9.154 ± 0.004 Å
α	90°
β	102.158 ± 0.006°
γ	90°
Cell volume	2563 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1694
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
273513 (current)	2022-03-08	cif/ Adding structures of 7709676, 7709677, 7709678 via cif-deposit CGI script.	7709677.cif