Crystallography Open Database

Information card for entry 7045676

Preview

Coordinates	7045676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H66 Bi2 N2
Calculated formula	C68 H66 Bi2 N2
Title of publication	Trapping of transient, heavy pnictogen-centred biradicals.
Authors of publication	Bresien, J.; Hinz, A.; Schulz, A.; Villinger, A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	13
Pages of publication	4433 - 4436
a	12.0269 ± 0.0008 Å
b	12.4083 ± 0.0008 Å
c	19.5579 ± 0.0012 Å
α	98.92 ± 0.002°
β	101.713 ± 0.003°
γ	90.533 ± 0.002°
Cell volume	2820.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0488
Weighted residual factors for all reflections included in the refinement	0.0531
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
229752 (current)	2019-11-17	cif/ Updating files of 7045674, 7045675, 7045676 Original log message: Adding full bibliography for 7045674--7045676.cif.	7045676.cif
206512	2018-02-20	cif/ Adding structures of 7045674, 7045675, 7045676 via cif-deposit CGI script.	7045676.cif