Crystallography Open Database

Information card for entry 7049237

Preview

Coordinates	7049237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C178 H194 F6 Lu2 N16 O20 P4 Pt2 S2
Calculated formula	C178 H194 F6 Lu2 N16 O20 P4 Pt2 S2
Title of publication	Strongly luminescent 5d/4f heterometal-organic macrocycles with open metal sites: post-assembly modification and sensing.
Authors of publication	Zhu, Qiang-Yu; Zhou, Li-Peng; Sun, Qing-Fu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	14
Pages of publication	4479 - 4483
a	18.6809 ± 0.0011 Å
b	15.942 ± 0.001 Å
c	41.772 ± 0.003 Å
α	90°
β	92.432 ± 0.002°
γ	90°
Cell volume	12429 ± 1.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	9
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	0.1574
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.2185
Weighted residual factors for all reflections included in the refinement	0.2697
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
224300 (current)	2019-11-08	cif/ Updating files of 7049235, 7049236, 7049237 Original log message: Adding full bibliography for 7049235--7049237.cif.	7049237.cif
213965	2019-03-05	cif/ Adding structures of 7049235, 7049236, 7049237 via cif-deposit CGI script.	7049237.cif