Crystallography Open Database

Information card for entry 7704214

Preview

Coordinates	7704214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H104 Br4 Cu4 Fe2 P4
Calculated formula	C92 H104 Br4 Cu4 Fe2 P4
Title of publication	Bulky 1,1'-bisphosphanoferrocenes and their coordination behaviour towards Cu(i).
Authors of publication	Dey, Subhayan; Buzsáki, Daniel; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	20
Pages of publication	6668 - 6681
a	12.8345 ± 0.0003 Å
b	15.7867 ± 0.0004 Å
c	25.8517 ± 0.0006 Å
α	90°
β	103.724 ± 0.002°
γ	90°
Cell volume	5088.4 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.0529
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1362
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
252797 (current)	2020-06-05	cif/ Updating files of 7704207, 7704208, 7704209, 7704210, 7704211, 7704212, 7704213, 7704214 Original log message: Adding full bibliography for 7704207--7704214.cif.	7704214.cif
251259	2020-04-29	cif/ Adding structures of 7704207, 7704208, 7704209, 7704210, 7704211, 7704212, 7704213, 7704214 via cif-deposit CGI script.	7704214.cif