Crystallography Open Database

Information card for entry 7700175

Preview

Structure parameters

Formula	C22 H19 N6 P
Calculated formula	C22 H19 N6 P
Title of publication	Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes.
Authors of publication	Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	41
Pages of publication	15397 - 15407
a	17.416 ± 0.004 Å
b	8.439 ± 0.0017 Å
c	40.806 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	5997 ± 2 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1491
Weighted residual factors for all reflections included in the refinement	0.1631
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
301878 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure.	7700175.cif
223900	2019-11-07	cif/ Updating files of 7700175, 7700176, 7700177, 7700178, 7700179, 7700180, 7700181, 7700182, 7700183, 7700184, 7700185 Original log message: Adding full bibliography for 7700175--7700185.cif.	7700175.cif
215725	2019-06-06	cif/ Adding structures of 7700175, 7700176, 7700177, 7700178, 7700179, 7700180, 7700181, 7700182, 7700183, 7700184, 7700185 via cif-deposit CGI script.	7700175.cif