Crystallography Open Database

Information card for entry 7031306

Preview

Coordinates	7031306.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	HS282
Formula	C44 H62 B11 Cl6 Cu2 Mo N4 O5 P2 Sn
Calculated formula	C44 H62 B11 Cl6 Cu2 Mo N4 O5 P2 Sn
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	19.8799 ± 0.0004 Å
b	11.6874 ± 0.0002 Å
c	26.0583 ± 0.0005 Å
α	90°
β	92.858 ± 0.001°
γ	90°
Cell volume	6047 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	10
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	0.0572
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1189
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
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.	7031306.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.	7031306.cif
116490	2014-06-13	cif/ Adding structures of 7031303, 7031304, 7031305, 7031306, 7031307, 7031308 via cif-deposit CGI script.	7031306.cif