Crystallography Open Database

Information card for entry 7121417

Preview

Coordinates	7121417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H46 B Cl4 F4 N P2 Ru
Calculated formula	C51 H46 B Cl4 F4 N P2 Ru
Title of publication	A missing member of conjugated N-heterocycles: realizing pyrido[1,2-α]azepine by reacting ruthenium alkenylcarbene complex with alkyne.
Authors of publication	Zhou, Xiaoxi; Huang, Fanping; Tang, Chun; Zhuo, Qingde; Chen, Zhixin; Zhang, Hong; Xia, Haiping
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	32
Pages of publication	4009 - 4012
a	10.2733 ± 0.0002 Å
b	16.5521 ± 0.0003 Å
c	27.6804 ± 0.0006 Å
α	90°
β	98.924 ± 0.002°
γ	90°
Cell volume	4649.93 ± 0.16 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
228081 (current)	2019-11-17	cif/ Updating files of 7121414, 7121415, 7121416, 7121417 Original log message: Adding full bibliography for 7121414--7121417.cif.	7121417.cif
207043	2018-03-22	cif/ Adding structures of 7121414, 7121415, 7121416, 7121417 via cif-deposit CGI script.	7121417.cif