Crystallography Open Database

Information card for entry 7049776

Preview

Coordinates	7049776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H57 Cl2 F12 N9 O P4 Ru2
Calculated formula	C57 H57 Cl2 F12 N9 O P4 Ru2
Title of publication	Influence of ligand substitution at the donor and acceptor center on MMCT in a cyanide-bridged mixed-valence system.
Authors of publication	Zhang, Lin-Tao; Zhu, Xiao-Quan; Hu, Sheng-Min; Zhang, Yu-Xiao; Su, Shao-Dong; Yang, Yu-Ying; Wu, Xin-Tao; Sheng, Tian-Lu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	22
Pages of publication	7809 - 7816
a	13.517 ± 0.002 Å
b	19.619 ± 0.004 Å
c	27.456 ± 0.004 Å
α	90°
β	112.215 ± 0.006°
γ	90°
Cell volume	6741 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.0769
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1912
Weighted residual factors for all reflections included in the refinement	0.2049
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
223824 (current)	2019-11-07	cif/ Updating files of 7049771, 7049772, 7049773, 7049774, 7049775, 7049776 Original log message: Adding full bibliography for 7049771--7049776.cif.	7049776.cif
214696	2019-04-19	cif/ Adding structures of 7049771, 7049772, 7049773, 7049774, 7049775, 7049776 via cif-deposit CGI script.	7049776.cif