Crystallography Open Database

Information card for entry 7219756

7219755 << 7219756 >> 7219757

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Structure parameters

Formula	C18 H23 F6 N4 P
Calculated formula	C18 H23 F6 N4 P
Title of publication	NCN Pincer Palladium Complexes Based on 1,3-dipicolyl-3,4,5,6-tetrahydropyrimidin-2-ylidenes: Synthesis, Characterization and Catalytic Activities
Authors of publication	Yang, Liangru; Zhang, Xinchi; Mao, Pu; Xiao, Yong-Mei; Bian, Huanyu; Yuan, Jinwei; Mai, Wen-Peng; Qu, Lingbo
Journal of publication	RSC Adv.
Year of publication	2015
a	9.6098 ± 0.0002 Å
b	11.4528 ± 0.0004 Å
c	18.8441 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2073.97 ± 0.1 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1409
Weighted residual factors for all reflections included in the refinement	0.1494
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7219756.cif
180528	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/97.	7219756.cif
133579	2015-03-06	cif/ Adding structures of 7219756, 7219757 via cif-deposit CGI script.	7219756.cif