Crystallography Open Database

Information card for entry 7022550

Preview

Coordinates	7022550.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TMOF-2c
Formula	C76.5 H60.19 N3.5 O16.5 Zn4
Calculated formula	C76.5 H60.2025 N3.5 O16.5 Zn4
Title of publication	New metal-organic frameworks from triptycene: structural diversity from bulky bridges.
Authors of publication	Crane, Angela K.; Patrick, Brian O.; MacLachlan, Mark J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	22
Pages of publication	8026 - 8033
a	25.502 ± 0.0018 Å
b	25.502 ± 0.0018 Å
c	50.469 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	32823 ± 4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0894
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.2283
Weighted residual factors for all reflections included in the refinement	0.2368
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7022550.html