Crystallography Open Database

Information card for entry 7036537

Preview

Coordinates	7036537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H76 Ge4 O14 Ru4
Calculated formula	C62 H76 Ge4 O14 Ru4
SMILES	[c]12([c]3([c]4([c]5([c]1(C)[Ru]2345(C#[O])(C#[O])[Ge]12O[Ge]3(O[Ge](O[Ge](O1)(O3)[Ru]1345([c]6([c]1([c]3([c]4([c]56C)C)C)C)C)(C#[O])C#[O])(O2)[Ru]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C#[O])C#[O])[Ru]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C#[O])C#[O])C)C)C)C.Cc1ccccc1.Cc1ccccc1
Title of publication	All-metallagermoxane with an adamantanoid cage structure: [(CpRu(CO)2Ge)4(μ-O)6] (Cp = η(5)-C5Me5).
Authors of publication	Bakthavachalam, K.; Yuvaraj, K.; Mondal, Bijan; Prakash, Rini; Ghosh, Sundargopal
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	41
Pages of publication	17920 - 17923
a	24.8437 ± 0.001 Å
b	23.3689 ± 0.0009 Å
c	23.9666 ± 0.0009 Å
α	90°
β	102.763 ± 0.002°
γ	90°
Cell volume	13570.5 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
171199 (current)	2015-12-09	cif/ Updating files of 7036537 Original log message: Adding full bibliography for 7036537.cif.	7036537.cif
156346	2015-09-16	cif/ Adding structures of 7036537 via cif-deposit CGI script.	7036537.cif