Crystallography Open Database

Information card for entry 7047755

Preview

Structure parameters

Formula	C29.5 H41 N9 O0.5
Calculated formula	C29.5 H41 N9 O0.5
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	11.5895 ± 0.0014 Å
b	18.322 ± 0.002 Å
c	14.4238 ± 0.0018 Å
α	90°
β	104.335 ± 0.007°
γ	90°
Cell volume	2967.4 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 K
Number of distinct elements	4
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	0.0903
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7047755.cif
229440	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.	7047755.cif
211437	2018-10-13	cif/ Adding structures of 7047755, 7047756, 7047757, 7047758, 7047759, 7047760, 7047761, 7047762 via cif-deposit CGI script.	7047755.cif