Crystallography Open Database

Information card for entry 4327562

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Structure parameters

Formula	C36 H36 N8 Nb2 O2
Calculated formula	C36 H36 N8 Nb2 O2
Title of publication	Insensitivity of the Nb-Nb Distance in a Paddle-Wheel Compound to Bond Multiplicity and Axial Ligation
Authors of publication	Maryam Tayebani; Khalil Feghali; Sandro Gambarotta; Glenn P. A. Yap
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	1399 - 1401
a	9.079 ± 0.003 Å
b	9.551 ± 0.003 Å
c	10.571 ± 0.004 Å
α	83.476 ± 0.006°
β	89.613 ± 0.006°
γ	69.641 ± 0.005°
Cell volume	853.3 ± 0.5 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1081
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1447
Weighted residual factors for all reflections included in the refinement	0.1559
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4327562.cif
179378	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/75.	4327562.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327562.cif
61384	2012-07-04	cif/ Adding structures of 4327562 via cif-deposit CGI script.	4327562.cif