Crystallography Open Database

Information card for entry 4344565

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Structure parameters

Formula	C49 H43 O8 Tb
Calculated formula	C49 H43 O8 Tb
SMILES	[Tb]1234(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)([O]=C(c1ccccc1)C=C(O3)c1ccccc1)[O](C)CC[O]4C
Title of publication	Smart Grafting of Lanthanides onto Silica via N,N-Dialkylcarbamato Complexes.
Authors of publication	Armelao, Lidia; Belli Dell'Amico, Daniela; Bellucci, Luca; Bottaro, Gregorio; Labella, Luca; Marchetti, Fabio; Samaritani, Simona
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	2
Pages of publication	939 - 947
a	12.435 ± 0.0006 Å
b	23.778 ± 0.0013 Å
c	14.7265 ± 0.0008 Å
α	90°
β	104.597 ± 0.002°
γ	90°
Cell volume	4213.8 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.056
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4344565.cif
175498	2016-02-04	cif/ Adding structures of 4344565 via cif-deposit CGI script.	4344565.cif