Crystallography Open Database

Information card for entry 4074627

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Structure parameters

Formula	C28 H36 B2 N4
Calculated formula	C28 H36 B2 N4
Title of publication	Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π−π Interactions in the Solid State
Authors of publication	Cortes-Llamas, Sara A.; Hernández-Pérez, Julio M.; Hô, Minhhuy; Muñoz-Hernández, Miguel-Ángel
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	3
Pages of publication	588
a	17.243 ± 0.004 Å
b	8.693 ± 0.002 Å
c	18.43 ± 0.004 Å
α	90°
β	115.279 ± 0.003°
γ	90°
Cell volume	2498 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.1318
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301830 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure.	4074627.cif
178635	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/46.	4074627.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074627.cif
48617	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074627 via cif-deposit CGI script.	4074627.cif