Crystallography Open Database

Information card for entry 7047757

Preview

Coordinates	7047757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90.09 H114.96 N27 Y
Calculated formula	C88.6669 H113.334 N27 Y
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	36.2178 ± 0.0014 Å
b	16.741 ± 0.0007 Å
c	31.6549 ± 0.0012 Å
α	90°
β	102.274 ± 0.0013°
γ	90°
Cell volume	18754.3 ± 1.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	7047757.cif
211437	2018-10-13	cif/ Adding structures of 7047755, 7047756, 7047757, 7047758, 7047759, 7047760, 7047761, 7047762 via cif-deposit CGI script.	7047757.cif