Crystallography Open Database

Information card for entry 7711866

Preview

Coordinates	7711866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H91 N O3 P4 Ru
Calculated formula	C81 H71 N O P4 Ru
SMILES	[Ru]12([P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)(C#Cc1ccc2N([C@@]3(Oc4c(cccc4)C=C3)C(c2c1)(C)C)C)C#Cc1ccccc1
Title of publication	Multifunctional switching properties of "wire-like" dinuclear ruthenium bis-alkynyl spiropyran complexes.
Authors of publication	Jago, David; Langley, Amelia R.; Eaves, Samantha G.; Walkey, Mark C.; Pulbrook, Thea; Moggach, Stephen A.; Piggott, Matthew J.; Low, Paul J.; Koutsantonis, George A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	52
Journal issue	1
Pages of publication	185 - 200
a	9.4183 ± 0.0001 Å
b	31.4732 ± 0.0002 Å
c	13.0007 ± 0.0001 Å
α	90°
β	104.668 ± 0.001°
γ	90°
Cell volume	3728.12 ± 0.06 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0359
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283227 (current)	2023-05-05	cif/ Updating files of 7711866, 7711867 Original log message: Adding full bibliography for 7711866--7711867.cif.	7711866.cif
279662	2022-12-01	cif/ Adding structures of 7711866, 7711867 via cif-deposit CGI script.	7711866.cif