Crystallography Open Database

Information card for entry 7031304

Preview

Coordinates	7031304.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	JW16a
Formula	C37 H62 B10 Cu2 Ge2 N4 O P2
Calculated formula	C37 H62 B10 Cu2 Ge2 N4 O P2
Title of publication	Dinuclear copper complexes: coordination of Group 14 heteroborates.
Authors of publication	Scheel, Holger; Wiederkehr, Jessica; Eichele, Klaus; Mayer, Hermann A.; Winter, Florian; Pöttgen, Rainer; Wesemann, Lars
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	31
Pages of publication	11867 - 11876
a	11.4078 ± 0.0003 Å
b	21.7301 ± 0.0005 Å
c	18.9365 ± 0.0004 Å
α	90°
β	95.235 ± 0.001°
γ	90°
Cell volume	4674.64 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180019 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/13.	7031304.cif
121654	2014-08-08	cif/ Updating files of 7031303, 7031304, 7031305, 7031306, 7031307, 7031308 Original log message: Adding full bibliography for 7031303--7031308.cif.	7031304.cif
116490	2014-06-13	cif/ Adding structures of 7031303, 7031304, 7031305, 7031306, 7031307, 7031308 via cif-deposit CGI script.	7031304.cif