Crystallography Open Database

Information card for entry 7047760

Preview

Coordinates	7047760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76.5 H101 Er N18 O Si
Calculated formula	C76.5 H101 Er N18 O Si
Title of publication	Variable coordination of carbazolyl-bis(tetrazole) ligands in lanthanide chemistry.
Authors of publication	Gajecki, Leah; Berg, David J.; Hoenisch, Josh; Oliver, Allen G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	43
Pages of publication	15487 - 15496
a	13.0938 ± 0.0007 Å
b	15.8303 ± 0.0008 Å
c	18.8202 ± 0.0009 Å
α	82.643 ± 0.003°
β	88.231 ± 0.003°
γ	88.254 ± 0.003°
Cell volume	3865.7 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
229440 (current)	2019-11-17	cif/ Updating files of 7047755, 7047756, 7047757, 7047758, 7047759, 7047760, 7047761, 7047762 Original log message: Adding full bibliography for 7047755--7047762.cif.	7047760.cif
211437	2018-10-13	cif/ Adding structures of 7047755, 7047756, 7047757, 7047758, 7047759, 7047760, 7047761, 7047762 via cif-deposit CGI script.	7047760.cif