Crystallography Open Database

Information card for entry 1557784

Preview

Coordinates	1557784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H38 Mo2 N6 O8
Calculated formula	C42 H38 Mo2 N6 O8
Title of publication	Enhanced charge transport via d(δ)-p(π) conjugation in Mo<sub>2</sub>-integrated single-molecule junctions.
Authors of publication	Meng, Miao; Tang, Zheng; Mallick, Suman; Luo, Ming Hui; Tan, Zhibing; Liu, Jun-Yang; Shi, Jia; Yang, Yang; Liu, Chun Y.; Hong, Wenjing
Journal of publication	Nanoscale
Year of publication	2020
Journal volume	12
Journal issue	18
Pages of publication	10320 - 10327
a	12.1607 ± 0.0014 Å
b	12.8866 ± 0.0016 Å
c	13.626 ± 0.0012 Å
α	76.922 ± 0.009°
β	89.914 ± 0.008°
γ	69.182 ± 0.011°
Cell volume	1936.8 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.1569
Residual factor for significantly intense reflections	0.1007
Weighted residual factors for significantly intense reflections	0.2518
Weighted residual factors for all reflections included in the refinement	0.2858
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
252853 (current)	2020-06-05	cif/ Updating files of 1557783, 1557784 Original log message: Adding full bibliography for 1557783--1557784.cif.	1557784.cif
250679	2020-04-13	cif/ Adding structures of 1557783, 1557784 via cif-deposit CGI script.	1557784.cif