Crystallography Open Database

Information card for entry 4331497

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Structure parameters

Formula	C26 H16 Be N2 O4
Calculated formula	C26 H16 Be N2 O4
SMILES	O1c2ccccc2c2oc3ccccc3[n]2[Be]21Oc1ccccc1c1oc3ccccc3[n]21
Title of publication	Syntheses, Structures, Photoluminescence, and Theoretical Studies of a Class of Beryllium(II) Compounds of Aromatic N,O-Chelate Ligands
Authors of publication	Tong, Yi-Ping; Zheng, Shao-Liang; Chen, Xiao-Ming
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	12
Pages of publication	4270 - 4275
a	10.2825 ± 0.0008 Å
b	16.7547 ± 0.0014 Å
c	24.935 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4295.8 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.129
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4331497.cif
179417	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/14.	4331497.cif
97657	2014-01-29	cif/ Adding structures of 4331496, 4331497, 4331498 via cif-deposit CGI script.	4331497.cif